smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)N[C@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000160865722 408532181 /nfs/dbraw/zinc/53/21/81/408532181.db2.gz ZLHJLHUXSAAIBO-LBPRGKRZSA-N -1 2 308.382 1.455 20 70 DDIDLM Cc1cccc2c(=O)c(C(=O)N(C)CC(=O)NC3CC3)c[nH]c12 ZINC000161324043 408587645 /nfs/dbraw/zinc/58/76/45/408587645.db2.gz YSCZVRJSPKDKRY-UHFFFAOYSA-N -1 2 313.357 1.599 20 70 DDIDLM CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000160865872 408531711 /nfs/dbraw/zinc/53/17/11/408531711.db2.gz ZLHJLHUXSAAIBO-GFCCVEGCSA-N -1 2 308.382 1.455 20 70 DDIDLM